N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine

C6H10FNO — CID 141403577

IUPACN-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine
SMILESFCNC1CC=COC1
InChIInChI=1S/C6H10FNO/c7-5-8-6-2-1-3-9-4-6/h1,3,6,8H,2,4-5H2
InChIKeyQDESUHSWURYLBK-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.81
Rot. Bonds2

About N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine

N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine (PubChem CID 141403577) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound NameN-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine
PubChem CID141403577
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC NameN-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine
SMILESFCNC1CC=COC1
InChIInChI=1S/C6H10FNO/c7-5-8-6-2-1-3-9-4-6/h1,3,6,8H,2,4-5H2
InChIKeyQDESUHSWURYLBK-UHFFFAOYSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine?
The IUPAC name of N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine (CID 141403577) is N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine.
What is the SMILES notation for N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine?
The canonical SMILES for N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine is FCNC1CC=COC1.
What is the InChIKey of N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine?
The InChIKey is QDESUHSWURYLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-5-8-6-2-1-3-9-4-6/h1,3,6,8H,2,4-5H2.
What are the key properties of N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine?
N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine has a molecular weight of 131.15 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-3,4-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 141403577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).